5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide

C15H21N3O2S — CID 61249293

IUPAC5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-4-5-6-13-7-9-14(10-8-13)18-21(19,20)15-11-16-17-12(15)2/h7-11,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyGRAKEUBFJVOWHU-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.25
Rot. Bonds7

About 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61249293) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61249293
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-4-5-6-13-7-9-14(10-8-13)18-21(19,20)15-11-16-17-12(15)2/h7-11,18H,3-6H2,1-2H3,(H,16,17)
InChIKeyGRAKEUBFJVOWHU-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
CID 61275594
N-[4-(1H-imidazol-5-yl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275740
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61273424
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide (CID 61249293) is 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide is CCCCCc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GRAKEUBFJVOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-4-5-6-13-7-9-14(10-8-13)18-21(19,20)15-11-16-17-12(15)2/h7-11,18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61249293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).